General Information of the Compound
| Compound ID |
CP0969992
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| Compound Name |
1-(((1r,3r)-3-(5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl)cyclobutyl)methyl)-3-methylurea
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| Formula |
C21H20F3N3O
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| Molecular Weight |
387.405
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| Canonical SMILES |
CNC(=O)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C21H20F3N3O/c1-25-21(28)26-10-11-6-13(7-11)18-16-8-15(23)9-17(24)20(16)27-19(18)12-2-4-14(22)5-3-12/h2-5,8-9,11,13,27H,6-7,10H2,1H3,(H2,25,26,28)/t11-,13-
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| InChIKey |
KIVWWOSTKXQOAY-AULYBMBSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound